SCHEMBL16245812

SCHEMBL16245812

CCc1ccc(CC(C)C=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16245798 0.87 TSHR (0.44) TSHRTP53MAPK1L3MBTL1NPC1
SCHEMBL16245769 0.87 TSHR (0.44) TSHRTP53LMNAMAPTAKR1C3
SCHEMBL29671369 0.87 TSHR (0.44) TSHRTP53LMNAMAPTAKR1C3
SCHEMBL29671366 0.83 TP53 (0.47) TSHRTP53ELANE
SCHEMBL23248048 0.83 TP53 (0.47) TSHRTP53ELANE
SCHEMBL13802284 0.78 ESR2 (0.49) TSHRTP53ELANENR3C1PGR
SCHEMBL16245780 0.78 LMNA (0.40) TSHRTP53ALDH1A1LMNAPTGS1
SCHEMBL4279450 0.78 TRPA1 (0.44) TP53MAPK1L3MBTL1NPC1ALDH1A1
SCHEMBL8849716 0.77 TSHR (0.60) TSHRTP53MAPK1L3MBTL1NPC1
SCHEMBL5872655 0.76 TSHR (0.63) TSHRTP53MAPK1L3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 — — EP claimed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 — — US claimed
US-20170218299-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-03 — — US claimed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 — — US claimed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 — — US claimed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 — — EP claimed
CN-105189432-A Improvements in or relating to organic compounds GIVAUDAN SA 2015-12-23 — — CN claimed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 — — WO claimed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 — — US disclosed
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 — — EP disclosed
US-20180251706-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-09-06 — — US disclosed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 — — US disclosed
US-20170218299-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-03 — — US disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 — — US disclosed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 — — US disclosed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 — — EP disclosed
CN-105189432-A Improvements in or relating to organic compounds GIVAUDAN SA 2015-12-23 — — CN disclosed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160075627-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885MAPK1 3959/4885
US-20180251706-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885MAPK1 3959/4885
US-20170218299-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885MAPK1 3959/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885MAPK1 3959/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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